Information card for entry 7127914

Structure parameters

• Formula: C172 H200 F18 N6 O51 Rh6 S6
• Calculated formula: C156 H138 N6 O12 Rh6
• SMILES: [Rh]123456(Oc7c8c(O1)c1c(c9O[Rh]%10%11%12%13(Oc(c89)cc7)([n]7ccc(C#Cc8cc9C#Cc%14cc[n]([Rh]%15%16%17%18%19(Oc%20ccc%21O[Rh]%22%23%24%25(Oc%26c%21c%20c(O%15)c%15c%26cccc%15)([n]%15ccc(cc%15)C#Cc%15cc(C#Cc%20cc[n]2cc%20)cc(c%15)C#Cc2cc[n]([Rh]%15%20%21%26%27(Oc%28ccc%29O[Rh]%30%31%32%33(Oc%34c%29c%28c(O%15)c%15c%34cccc%15)([n]%15ccc(C#Cc(c8)c9)cc%15)[c]8([c]%30([c]%31([c]%32([c]%338C)C)C)C)C)[c]8([c]%27([c]%26([c]%21([c]%208C)C)C)C)C)cc2)[c]2([c]%22([c]%23([c]%24(C)[c]%252C)C)C)C)[c]2([c]%19([c]%18([c]%17([c]%162C)C)C)C)C)cc%14)cc7)[c]2([c]%10(C)[c]%11(C)[c]%12([c]%132C)C)C)cccc1)[c]1([c]3([c]4([c]5([c]61C)C)C)C)C
• Title of publication: Self-assembly and guest-induced disassembly of triply interlocked [2]catenanes.
• Authors of publication: Zhang, Ying-Ying; Qiu, Feng-Yi; Shi, Hua-Tian; Yu, Weibin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 24
• Pages of publication: 3010 - 3013
• a: 35.2854 ± 0.0019 Å
• b: 32.1734 ± 0.0018 Å
• c: 37.719 ± 0.002 Å
• α: 90°
• β: 101.939 ± 0.003°
• γ: 90°
• Cell volume: 41894 ± 4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2288
• Residual factor for significantly intense reflections: 0.1843
• Weighted residual factors for significantly intense reflections: 0.3926
• Weighted residual factors for all reflections included in the refinement: 0.4126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 1.34138 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No